General Information of the Compound
| Compound ID |
CP0377757
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| Compound Name |
2-(4-(2-methoxyethyl)piperazin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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| Structure |
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| Formula |
C28H31F6N7O
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| Molecular Weight |
595.592
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| Canonical SMILES |
COCCN1CCN(CC1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C28H31F6N7O/c1-42-18-17-39-13-15-41(16-14-39)26-37-23-9-12-40(25-22(28(32,33)34)3-2-10-35-25)11-8-21(23)24(38-26)36-20-6-4-19(5-7-20)27(29,30)31/h2-7,10H,8-9,11-18H2,1H3,(H,36,37,38)
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| InChIKey |
NPICNXRKKUTWHW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1